Geometry & MOs

Info

ID:	51210
PubChem CID:	12013849
Reduced:	SN2O3C20H22 (1)
Stoich.:	AB2C3D20E22 (1)
Weight, g/mol:	344.17763
ΔH_f, kcal/mol:	-64.55
Dipole, Da:	1.49
IP(EA), eV:	-8.65(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,8R)-3,7-bis(4-methoxyphenyl)-1,5-dimethyltricyclo[3.3.0.02,8]octa-3,6-diene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2=N[C@H]3CO[C@@H]([C@@H]([C@H]3S2)O)OCC4=CC=CC=C4

DOS

IR

Vibrations